2-[8-chloranyl-3,3-dimethyl-7-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[8-chloranyl-3,3-dimethyl-7-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[8-chloro-3,3-dimethyl-7-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxido-pyridin-1-ium CAS Name: 2-[8-chloro-3,3-dimethyl-7-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium IUPAC Name: 2-[8-chloro-3,3-dimethyl-7-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium Traditional Name: 2-[8-chloro-3,3-dimethyl-7-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxido-pyridin-1-ium Formula: C18H15ClF3NO2 MolecularWeight: 369.76541

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC(=C(C=C2C(=C1)C3=CC=CC=[N+]3[O-])C(F)(F)F)Cl)C

Isomeric SMILES

CC1(COC2=CC(=C(C=C2C(=C1)C3=CC=CC=[N+]3[O-])C(F)(F)F)Cl)C

InChI

InChI=1S/C18H15ClF3NO2/c1-17(2)9-12(15-5-3-4-6-23(15)24)11-7-13(18(20,21)22)14(19)8-16(11)25-10-17/h3-9H,10H2,1-2H3